Geometry & MOs

Info

ID:

106647

PubChem CID:

50171474

Reduced:

FO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-268.27

Dipole, Da:

3.47

IP(EA), eV:

 -8.96(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C)F

DOS

IR

Vibrations